Should you encounter any unexpected behaviour,
please let us know.

* 1QNX *

B-factor analysis for ID 240228055129914373

Overall B-factor prediction

Correlation= 0.532 for 209 C-alpha atoms.

B-factors for all residues

Residue-by-residue B-factor prediction for CA atoms

B-factors are computed based on the first 100 normal modes (B-PREDICT) and are scaled to match the overall B-factors in the submitted model (B-SCALED). A high correlation with the observations is an indicator that the normal modes capture well the overall flexibility features of the model. Comparison of the observed (B-OBS, blue) and the computed (B-SCALED, red) B-factors for all C-alpha atoms is presented below. Differences between B-factors from normal mode analysis and from X-ray crystallographic data may for example indicate regions where the protein flexibility is modified due to external factors such as tight crystall-packing.

ATOM TYP RES RESID B-PREDICT B-SCALED B-OBS	B-SCALED	B-OBS
2 CA ALA -4 0.0545 22.6644 19.0300
7 CA GLU -3 0.0539 22.5003 17.3500
16 CA ALA -2 0.0250 15.2761 14.5800
21 CA GLU -1 0.0271 15.8102 13.4600
30 CA PHE 0 0.0534 22.3760 11.7300
41 CA ASN 1 0.0491 21.2967 11.6300
49 CA ASN 2 0.0493 21.3673 12.7200
57 CA TYR 3 0.0213 14.3669 13.5500
69 CA CYS 4 0.0436 19.9360 16.0500
75 CA LYS 5 0.0752 27.8353 17.8400
84 CA ILE 6 0.0275 15.9104 19.2700
92 CA LYS 7 0.0451 20.3189 21.9700
101 CA CYS 8 0.0362 18.0873 22.5800
107 CA LEU 9 0.0821 29.5749 24.6900
115 CA LYS 10 0.1181 38.5727 25.9000
124 CA GLY 11 0.0957 32.9720 24.3100
128 CA GLY 12 0.0465 20.6594 21.1800
132 CA VAL 13 0.0314 16.8900 17.3300
139 CA HIS 14 0.0130 12.2680 14.5000
149 CA THR 15 0.0103 11.5976 13.8500
156 CA ALA 16 0.0125 12.1525 14.4800
161 CA CYS 17 0.0196 13.9194 16.2000
167 CA LYS 18 0.0205 14.1497 18.2900
176 CA TYR 19 0.0203 14.0998 20.7500
188 CA GLY 20 0.0301 16.5628 24.7100
192 CA SER 21 0.0276 15.9423 27.7100
198 CA LEU 22 0.0292 16.3230 29.4500
206 CA LYS 23 0.0309 16.7574 29.4500
215 CA PRO 24 0.0187 13.7049 28.1400
222 CA ASN 25 0.0226 14.6693 26.9300
230 CA CYS 26 0.0271 15.7960 25.6600
236 CA GLY 27 0.0910 31.8015 25.3200
240 CA ASN 28 0.0872 30.8441 23.4400
248 CA LYS 29 0.0387 18.7128 19.5900
257 CA VAL 30 0.0326 17.1783 17.2900
264 CA VAL 31 0.0208 14.2217 16.2100
271 CA VAL 32 0.0253 15.3657 16.2300
278 CA SER 33 0.0245 15.1457 16.0800
284 CA TYR 34 0.0123 12.1131 14.9700
296 CA GLY 35 0.0186 13.6691 14.6000
300 CA LEU 36 0.0213 14.3509 13.3800
308 CA THR 37 0.0411 19.3077 13.4400
315 CA LYS 38 0.0699 26.5030 13.4200
324 CA GLN 39 0.0468 20.7329 11.9500
333 CA GLU 40 0.0163 13.1158 11.3500
342 CA LYS 41 0.0151 12.8056 11.1200
351 CA GLN 42 0.0254 15.3827 10.9100
360 CA ASP 43 0.0187 13.7001 10.0500
368 CA ILE 44 0.0093 11.3460 9.3300
376 CA LEU 45 0.0094 11.3743 10.5600
384 CA LYS 46 0.0191 13.8005 10.9900
393 CA GLU 47 0.0115 11.9028 10.9300
402 CA HIS 48 0.0072 10.8370 10.3800
412 CA ASN 49 0.0096 11.4264 10.4100
420 CA ASP 50 0.0131 12.3114 10.0400
428 CA PHE 51 0.0083 11.1009 9.9400
439 CA ARG 52 0.0073 10.8414 10.1100
450 CA GLN 53 0.0113 11.8506 11.2300
459 CA LYS 54 0.0149 12.7494 12.3100
468 CA ILE 55 0.0093 11.3622 12.7900
476 CA ALA 56 0.0160 13.0203 13.9500
481 CA ARG 57 0.0243 15.0933 15.4100
492 CA GLY 58 0.0252 15.3352 16.0500
496 CA LEU 59 0.0309 16.7522 16.3400
504 CA GLU 60 0.0193 13.8456 16.3000
513 CA THR 61 0.0294 16.3917 16.7600
520 CA ARG 62 0.0203 14.0964 16.6800
531 CA GLY 63 0.0192 13.8194 16.2600
535 CA ASN 64 0.0369 18.2504 17.1600
543 CA PRO 65 0.0416 19.4256 17.3200
550 CA GLY 66 0.0283 16.1114 17.5800
554 CA PRO 67 0.0280 16.0365 17.0400
561 CA GLN 68 0.0129 12.2629 14.9000
570 CA PRO 69 0.0180 13.5293 14.2000
577 CA PRO 70 0.0207 14.2123 14.5200
584 CA ALA 71 0.0179 13.5116 16.2600
589 CA LYS 72 0.0361 18.0482 19.2700
598 CA ASN 73 0.0310 16.7881 19.9200
606 CA MET 74 0.0138 12.4902 17.5600
614 CA LYS 75 0.0173 13.3592 16.3600
623 CA ASN 76 0.0118 11.9669 14.1600
631 CA LEU 77 0.0093 11.3632 11.8700
639 CA VAL 78 0.0129 12.2421 11.6800
646 CA TRP 79 0.0100 11.5363 11.5200
660 CA ASN 80 0.0119 12.0091 10.7900
668 CA ASP 81 0.0136 12.4264 10.2000
676 CA GLU 82 0.0081 11.0427 8.4200
685 CA LEU 83 0.0066 10.6677 8.2300
693 CA ALA 84 0.0079 10.9964 9.0000
698 CA TYR 85 0.0066 10.6708 9.2400
710 CA VAL 86 0.0047 10.1914 8.3600
717 CA ALA 87 0.0049 10.2621 8.1600
722 CA GLN 88 0.0063 10.6066 8.7000
731 CA VAL 89 0.0066 10.6771 8.6800
738 CA TRP 90 0.0065 10.6614 9.7500
752 CA ALA 91 0.0060 10.5350 10.5800
757 CA ASN 92 0.0090 11.2840 11.9800
765 CA GLN 93 0.0114 11.8856 13.3600
774 CA CYS 94 0.0105 11.6623 14.9900
780 CA GLN 95 0.0154 12.8835 16.4300
789 CA TYR 96 0.0162 13.0850 15.4300
801 CA GLY 97 0.0185 13.6657 14.0700
805 CA HIS 98 0.0129 12.2461 13.0500
815 CA ASP 99 0.0120 12.0206 11.9200
823 CA THR 100 0.0286 16.1860 12.4800
830 CA CYS 101 0.0174 13.3789 11.1100
836 CA ARG 102 0.0085 11.1628 10.7100
847 CA ASP 103 0.0101 11.5650 10.6600
855 CA VAL 104 0.0134 12.3712 10.8400
862 CA ALA 105 0.0391 18.8057 12.2100
867 CA LYS 106 0.0368 18.2238 13.0800
876 CA TYR 107 0.0236 14.9342 12.6500
888 CA GLN 108 0.0148 12.7223 10.2100
897 CA VAL 109 0.0090 11.2850 8.4100
904 CA GLY 110 0.0073 10.8429 8.6500
908 CA GLN 111 0.0068 10.7210 8.5800
917 CA ASN 112 0.0065 10.6638 8.7900
925 CA VAL 113 0.0071 10.8089 9.8100
932 CA ALA 114 0.0107 11.6919 10.5900
937 CA LEU 115 0.0105 11.6489 11.0600
945 CA THR 116 0.0205 14.1523 12.3500
952 CA GLY 117 0.0286 16.1688 12.3600
956 CA SER 118 0.0522 22.0960 13.0900
962 CA THR 119 0.0780 28.5442 14.5400
969 CA ALA 120 0.1137 37.4803 17.8900
974 CA ALA 121 0.0775 28.4075 20.6200
979 CA LYS 122 0.0517 21.9502 22.6200
988 CA TYR 123 0.0263 15.6052 23.1200
1000 CA ASP 124 0.0213 14.3632 22.7300
1008 CA ASP 125 0.0222 14.5840 21.0600
1016 CA PRO 126 0.0127 12.2055 17.7900
1023 CA VAL 127 0.0130 12.2884 15.7900
1030 CA LYS 128 0.0199 14.0150 15.6600
1039 CA LEU 129 0.0126 12.1801 15.0500
1047 CA VAL 130 0.0098 11.4702 15.0400
1054 CA LYS 131 0.0123 12.1105 16.3500
1063 CA MET 132 0.0106 11.6676 16.6900
1071 CA TRP 133 0.0084 11.1291 14.7700
1085 CA GLU 134 0.0090 11.2687 14.2000
1094 CA ASP 135 0.0136 12.4159 14.7000
1102 CA GLU 136 0.0125 12.1411 14.5100
1111 CA VAL 137 0.0101 11.5493 14.1400
1118 CA LYS 138 0.0203 14.1031 15.2600
1127 CA ASP 139 0.0237 14.9547 15.8800
1135 CA TYR 140 0.0151 12.8081 16.2600
1147 CA ASN 141 0.0204 14.1401 17.7300
1155 CA PRO 142 0.0247 15.1980 20.0200
1162 CA LYS 143 0.0515 21.9002 23.5100
1171 CA LYS 144 0.0383 18.6138 25.1900
1180 CA LYS 145 0.0345 17.6447 25.9500
1189 CA PHE 146 0.0188 13.7280 24.9900
1200 CA SER 147 0.0318 16.9871 25.3700
1206 CA GLY 148 0.0382 18.5934 25.5200
1210 CA ASN 149 0.0275 15.9039 24.9700
1218 CA ASP 150 0.0396 18.9371 25.1500
1226 CA PHE 151 0.0313 16.8651 24.6700
1237 CA LEU 152 0.0598 23.9853 23.2200
1245 CA LYS 153 0.0367 18.2145 20.7700
1254 CA THR 154 0.0135 12.4014 17.1600
1261 CA GLY 155 0.0131 12.3122 15.0500
1265 CA HIS 156 0.0075 10.9050 13.6900
1275 CA TYR 157 0.0052 10.3328 11.5500
1287 CA THR 158 0.0055 10.4077 9.8000
1294 CA GLN 159 0.0051 10.3030 9.7100
1303 CA MET 160 0.0044 10.1152 9.4000
1311 CA VAL 161 0.0037 9.9594 8.8900
1318 CA TRP 162 0.0062 10.5790 8.9400
1332 CA ALA 163 0.0082 11.0787 9.7600
1337 CA ASN 164 0.0105 11.6525 9.8900
1345 CA THR 165 0.0079 11.0012 9.4800
1352 CA LYS 166 0.0097 11.4583 11.0600
1361 CA GLU 167 0.0097 11.4414 11.7600
1370 CA VAL 168 0.0065 10.6640 10.7900
1377 CA GLY 169 0.0064 10.6206 9.4700
1381 CA CYS 170 0.0055 10.4044 9.2100
1387 CA GLY 171 0.0056 10.4383 9.4500
1391 CA SER 172 0.0067 10.6905 10.7800
1397 CA ILE 173 0.0060 10.5294 10.3500
1405 CA LYS 174 0.0094 11.3712 10.7200
1414 CA TYR 175 0.0114 11.8744 10.1100
1426 CA ILE 176 0.0232 14.8224 10.2400
1434 CA GLN 177 0.0332 17.3320 9.7800
1443 CA GLU 178 0.0863 30.6210 10.4100
1452 CA LYS 179 0.0729 27.2643 10.6600
1461 CA TRP 180 0.0391 18.8106 10.2100
1475 CA HIS 181 0.0252 15.3259 11.2200
1485 CA LYS 182 0.0117 11.9546 10.8400
1494 CA HIS 183 0.0084 11.1217 11.6300
1504 CA TYR 184 0.0062 10.5702 11.0600
1516 CA LEU 185 0.0058 10.4895 10.3700
1524 CA VAL 186 0.0050 10.2792 9.4700
1531 CA CYS 187 0.0053 10.3425 8.8200
1537 CA ASN 188 0.0049 10.2463 8.1400
1545 CA TYR 189 0.0054 10.3857 8.0700
1557 CA GLY 190 0.0086 11.1723 9.0000
1561 CA PRO 191 0.0098 11.4749 10.4300
1568 CA SER 192 0.0092 11.3254 11.8900
1574 CA GLY 193 0.0097 11.4577 12.6500
1578 CA ASN 194 0.0142 12.5898 14.4200
1586 CA PHE 195 0.0231 14.7990 17.5000
1597 CA LYS 196 0.0562 23.0972 21.0100
1606 CA ASN 197 0.0689 26.2613 21.8400
1614 CA GLU 198 0.0267 15.7160 19.7600
1623 CA GLU 199 0.0214 14.3773 18.7400
1632 CA LEU 200 0.0084 11.1226 16.7400
1640 CA TYR 201 0.0104 11.6218 16.5200
1652 CA GLN 202 0.0344 17.6382 18.9100
1661 CA THR 203 0.0302 16.5783 22.4900
1668 CA LYS 204 0.0596 23.9305 26.5500

If you find results from this site helpful for your research, please cite one of our papers:

K. Suhre & Y.H. Sanejouand, ElNemo: a normal mode web-server for protein movement analysis and the generation of templates for molecular replacement. Nucleic Acids Research, 32, W610-W614, 2004.
K. Suhre & Y.H. Sanejouand, On the potential of normal mode analysis for solving difficult molecular replacement problems. Acta Cryst. D vol.60, p796-799, 2004 © International Union of Crystallography.

elNémo is maintained by Yves-Henri Sanejouand.
It was developed by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.

Should you encounter any unexpected behaviour, please let us know.